1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine

C9H15N3 — CID 142625786

IUPAC1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine
SMILESCN1C2=C(C=NC1N)CCCC2
InChIInChI=1S/C9H15N3/c1-12-8-5-3-2-4-7(8)6-11-9(12)10/h6,9H,2-5,10H2,1H3
InChIKeyONVFFVLZHUEYBZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.07
Rot. Bonds

About 1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine

1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine (PubChem CID 142625786) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine.

Molecular Properties

Compound Name1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine
PubChem CID142625786
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine
SMILESCN1C2=C(C=NC1N)CCCC2
InChIInChI=1S/C9H15N3/c1-12-8-5-3-2-4-7(8)6-11-9(12)10/h6,9H,2-5,10H2,1H3
InChIKeyONVFFVLZHUEYBZ-UHFFFAOYSA-N
XLogP1.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-tetrahydro-2H-quinazoline-1,2-diamine
CID 142625785
1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-4-amine
CID 142625788
(5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline
CID 146206467
1,2,5,6,7,8-Hexahydroquinazoline
CID 154082158
1,2,5,6,7,8-Hexahydroquinazolin-3-ium
CID 173072501
2-Methyl-3,4,5,6,7,8-hexahydroisoquinolin-2-ium-3-amine
CID 174256960

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine?
The IUPAC name of 1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine (CID 142625786) is 1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine.
What is the SMILES notation for 1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine?
The canonical SMILES for 1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine is CN1C2=C(C=NC1N)CCCC2.
What is the InChIKey of 1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine?
The InChIKey is ONVFFVLZHUEYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-8-5-3-2-4-7(8)6-11-9(12)10/h6,9H,2-5,10H2,1H3.
What are the key properties of 1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine?
1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine is sourced from PubChem (CID 142625786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).